| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | ClCC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)CC(C)C)CCCC[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C18H35ClN4O3/c1-11(2)9-14(23-18(26)16(21)12(3)4)17(25)22-13(15(24)10-19)7-5-6-8-20/h11-14,16H,5-10,20-21H2,1-4H3,(H,22,25)(H,23,26)/p+1 |
| InChIKey | InChI | 1.03 | BFFGVNDZOIYMKV-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)CCl |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH](N)C(C)C)C(=O)N[CH](CCCC[NH3+])C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)CCl)NC(=O)[C@@H](C(C)C)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(=O)NC(CCCC[NH3+])C(=O)CCl)NC(=O)C(C(C)C)N |
